tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate

C12H20N2O4 — CID 22989478

IUPACtert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2CCOC(=O)C2C1
InChIInChI=1S/C12H20N2O4/c1-12(2,3)18-11(16)14-5-4-13-6-7-17-10(15)9(13)8-14/h9H,4-8H2,1-3H3
InChIKeyZPOALBYRPFJQOS-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.46
Rot. Bonds

About tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate

tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate (PubChem CID 22989478) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate
PubChem CID22989478
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2CCOC(=O)C2C1
InChIInChI=1S/C12H20N2O4/c1-12(2,3)18-11(16)14-5-4-13-6-7-17-10(15)9(13)8-14/h9H,4-8H2,1-3H3
InChIKeyZPOALBYRPFJQOS-UHFFFAOYSA-N
XLogP0.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate?
The IUPAC name of tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate (CID 22989478) is tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate.
What is the SMILES notation for tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate?
The canonical SMILES for tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate is CC(C)(C)OC(=O)N1CCN2CCOC(=O)C2C1.
What is the InChIKey of tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate?
The InChIKey is ZPOALBYRPFJQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2,3)18-11(16)14-5-4-13-6-7-17-10(15)9(13)8-14/h9H,4-8H2,1-3H3.
What are the key properties of tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate?
tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate is sourced from PubChem (CID 22989478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).